2-[(Z)-benzylideneamino]-5-nitrobenzo[de]isoquinoline-1,3-dione

Formula:C19H11N3O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(Z)-benzylideneamino]-5-nitrobenzo[de]isoquinoline-1,3-dione is a drug-like molecule.

MolName	2-[(Z)-benzylideneamino]-5-nitrobenzo[de]isoquinoline-1,3-dione
MolecularFormula	C19H11N3O4
Smiles	[O-][N+](c1cc2cccc(C(N(C3=O)/N=C\c4ccccc4)=O)c2c3c1)=O
InChI	InChI=1S/C19H11N3O4/c23-18-15-8-4-7-13-9-14(22(25)26)10-16(17(13)15)19(24)21(18)20-11-12-5-2-1-3-6-12/h1-11H
InChIK	DCNLSHBRTRVACE-UHFFFAOYSA-N
TotalMolweight	345.313
Molweight	345.313
MonoisotopicMass	345.074957
CLogP	2.9245
CLogS	-5.648
H Acceptors	7
TotalSurfaceArea	248.35
Relative PSA	0.28814
PolarSurfaceArea	95.56
Druglikeness	-1.3922
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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